5-chloranyl-3-cyclohexyl-1-[(3-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one

Systemtic Name: 5-chloranyl-3-cyclohexyl-1-[(3-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one Openeye Name: 5-chloro-3-cyclohexyl-1-[(3-methoxy-4-nitro-phenyl)methyl]benzimidazol-2-one CAS Name: 5-chloro-3-cyclohexyl-1-[(3-methoxy-4-nitrophenyl)methyl]-2-benzimidazolone IUPAC Name: 5-chloro-3-cyclohexyl-1-[(3-methoxy-4-nitrophenyl)methyl]benzimidazol-2-one Traditional Name: 5-chloro-3-cyclohexyl-1-(3-methoxy-4-nitro-benzyl)benzimidazol-2-one Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C3=C(C=C(C=C3)Cl)N(C2=O)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O4/c1-29-20-11-14(7-9-18(20)25(27)28)13-23-17-10-8-15(22)12-19(17)24(21(23)26)16-5-3-2-4-6-16/h7-12,16H,2-6,13H2,1H3